3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole

C45H31N3O — CID 134594958

IUPAC3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C45H31N3O/c1-2-44-46-38-15-7-9-17-41(38)48(44)33-23-19-29(20-24-33)34-14-10-18-43-45(34)37-28-31(22-26-42(37)49-43)30-21-25-40-36(27-30)35-13-6-8-16-39(35)47(40)32-11-4-3-5-12-32/h3-28H,2H2,1H3
InChIKeyVYRBQZAWHQRZAE-UHFFFAOYSA-N
MW629.76 g/mol
LogP11.92
Rot. Bonds5

About 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole

3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole (PubChem CID 134594958) has the molecular formula C45H31N3O and a molecular weight of 629.76 g/mol. Its IUPAC name is 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole.

Molecular Properties

Compound Name3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
PubChem CID134594958
Molecular FormulaC45H31N3O
Molecular Weight629.76 g/mol
Exact Mass629.25
IUPAC Name3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole
SMILESCCc1nc2ccccc2n1-c1ccc(-c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)cc1
InChIInChI=1S/C45H31N3O/c1-2-44-46-38-15-7-9-17-41(38)48(44)33-23-19-29(20-24-33)34-14-10-18-43-45(34)37-28-31(22-26-42(37)49-43)30-21-25-40-36(27-30)35-13-6-8-16-39(35)47(40)32-11-4-3-5-12-32/h3-28H,2H2,1H3
InChIKeyVYRBQZAWHQRZAE-UHFFFAOYSA-N
XLogP11.92
TPSA35.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500629.76
LogP ≤ 511.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(9-phenylcarbazol-3-yl)-9-[9-(4-phenylphenyl)dibenzofuran-2-yl]carbazole
CID 177077416
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-(4-phenylquinolin-2-yl)carbazole
CID 138475094
3-[9-[9-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]carbazol-3-yl]dibenzofuran-2-yl]-9-phenylcarbazole
CID 138475154
2,7-diphenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(1-phenylbenzimidazol-2-yl)phenyl]dibenzofuran-3-yl]carbazole;3-phenyl-9-[9-[4-(2-phenylbenzimidazol-1-yl)phenyl]dibenzofuran-3-yl]carbazole
CID 158600423
3-[8-(9-phenylcarbazol-3-yl)dibenzofuran-1-yl]-9-[4-(4-phenylphenyl)quinazolin-2-yl]carbazole
CID 138475060
9-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-3-(3-phenylphenyl)carbazole
CID 167329299
10-[9-(1-ethylbenzimidazol-2-yl)dibenzofuran-2-yl]-7-phenylbenzo[c]carbazole
CID 134594956
3-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-2-yl]-9-phenyl-6-(1-phenylbenzimidazol-2-yl)carbazole
CID 129292117
9-(4-dibenzofuran-2-ylphenyl)-3-[4-(1-phenylbenzimidazol-2-yl)phenyl]carbazole
CID 118149535
9-phenyl-3-[9-(2-phenylquinazolin-4-yl)dibenzofuran-2-yl]carbazole
CID 134594831
9-phenyl-14-[9-(9-phenylcarbazol-3-yl)dibenzofuran-2-yl]-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
CID 134515861
9-phenyl-3-(9-phenylcarbazol-2-yl)-6-[9-(9-triphenylen-2-ylcarbazol-3-yl)dibenzofuran-2-yl]carbazole
CID 147321695

Frequently Asked Questions

What is the IUPAC name of 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The IUPAC name of 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole (CID 134594958) is 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole.
What is the SMILES notation for 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The canonical SMILES for 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole is CCc1nc2ccccc2n1-c1ccc(-c2cccc3oc4ccc(-c5ccc6c(c5)c5ccccc5n6-c5ccccc5)cc4c23)cc1.
What is the InChIKey of 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
The InChIKey is VYRBQZAWHQRZAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H31N3O/c1-2-44-46-38-15-7-9-17-41(38)48(44)33-23-19-29(20-24-33)34-14-10-18-43-45(34)37-28-31(22-26-42(37)49-43)30-21-25-40-36(27-30)35-13-6-8-16-39(35)47(40)32-11-4-3-5-12-32/h3-28H,2H2,1H3.
What are the key properties of 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole?
3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole has a molecular weight of 629.76 g/mol, XLogP of 11.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[9-[4-(2-ethylbenzimidazol-1-yl)phenyl]dibenzofuran-2-yl]-9-phenylcarbazole is sourced from PubChem (CID 134594958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).